Ubuntu
elkcode package

elkcode 2.3.22-1build1 source package in Ubuntu

Changelog

elkcode (2.3.22-1build1) xenial; urgency=medium

  * No-change rebuild for openmpi transition.

 -- Matthias Klose <email address hidden>  Mon, 01 Feb 2016 11:26:10 +0000

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Uploaded by:
Matthias Klose
Uploaded to:
Xenial
Original maintainer:
Debichem Team
Architectures:
any
Section:
misc
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section

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File Size SHA-256 Checksum
elkcode_2.3.22.orig.tar.gz 2.0 MiB 869626fb78566c00ab00484a1cb29396fb40fcbada07b03c307efb52e4d06699
elkcode_2.3.22-1build1.debian.tar.xz 7.9 KiB ad5e9c5a66d2056710729ce367f9f2097ba3d9879df3f71b7481dd60cc910fb0
elkcode_2.3.22-1build1.dsc 2.0 KiB 47393b099ffe50f0673280d47cccbbe6b63c1a045787eaa219eecd0a6bb0f9e0

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Binary packages built by this source

elk-lapw: All-Electron Density-Functional Electronic Structure Code

 Elk is an all-electron full-potential linearised augmented-plane wave
 (FP-LAPW) code. By not including pseudo-potentials, Elk can provide very
 reliable high-precision results and works for every chemical element. Features
 include:
 .
  * FP-LAPW basis with local-orbitals
  * APW radial derivative matching to arbitrary orders at muffin-tin surface
    (super-LAPW, etc.)
  * Arbitrary number of local-orbitals allowed (all core states can be made
    valence for example)
  * Total energies resolved into components
  * LSDA and GGA functionals available
  * Isolated molecules or periodic systems
  * Core states treated with the radial Dirac equation
 .
 Elk is parallelized via OpenMP.

elk-lapw-dbgsym: debug symbols for package elk-lapw

 Elk is an all-electron full-potential linearised augmented-plane wave
 (FP-LAPW) code. By not including pseudo-potentials, Elk can provide very
 reliable high-precision results and works for every chemical element. Features
 include:
 .
  * FP-LAPW basis with local-orbitals
  * APW radial derivative matching to arbitrary orders at muffin-tin surface
    (super-LAPW, etc.)
  * Arbitrary number of local-orbitals allowed (all core states can be made
    valence for example)
  * Total energies resolved into components
  * LSDA and GGA functionals available
  * Isolated molecules or periodic systems
  * Core states treated with the radial Dirac equation
 .
 Elk is parallelized via OpenMP.